About "fix setforce“

Posted In MD (LAMMPS)
  • 无心之狮觉 3 weeks ago

    If a surface is made to have zero force (and its velocity is also zero) with the fix setforce command, do the forces between the atoms on this surface and other atoms still exist?

  • Materials Square 2 weeks ago

    Hello.

    Yes, it is. The interaction is still considered, although the atoms are fixed.

    But generally, people fix the several layers from the bottom and allow movement for the surface.

    Could you let me know why do you fix the surface atoms?

  • 无心之狮觉 2 weeks ago

    Okay, I get it, thanks.

    I want to fix the surface atoms because this surface is the surface of a carbon tube and I want to fix this tube without moving.

     

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